1H-Indole-2-carboxylic acid, 1-((2-amino-5-chlorophenyl)sulfonyl)-, ethyl ester
Basic information
- CAS
173908-47-9- Standard SMILES
CCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1cc(Cl)ccc1N- InChIKey
KEKPJYIQOLPKNC-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O4S
- Average molar mass
- 378.8 g/mol
- Monoisotopic mass
- 378.0441058
Names & identifiers
- Preferred name
- 1H-Indole-2-carboxylic acid, 1-((2-amino-5-chlorophenyl)sulfonyl)-, ethyl ester
- IUPAC
- ethyl 1-(2-amino-5-chlorophenyl)sulfonylindole-2-carboxylate
- English name
- ethyl 1-(2-amino-5-chloro-phenyl)sulfonylindole-2-carboxylate
- Molecular formula
- C17H15ClN2O4S
- Molecular weight
- 0
Names & synonyms
173908-47-9ethyl 1-(2-amino-5-chlorophenyl)sulfonylindole-2-carboxylate1H-Indole-2-carboxylic acid, 1-((2-amino-5-chlorophenyl)sulfonyl)-, ethyl esterEthyl 1-((5-Chloro-2-aminophenyl)sulfonyl)-1H-indole-2-carboxylateEthyl 1-[(5-Chloro-2-aminophenyl)sulfonyl]-1H-indole-2-carboxylate1H-Indole-2-carboxylic acid, 1-[(2-amino-5-chlorophenyl)sulfonyl]-, ethyl esterCHEMBL82415DTXSID80169720ETHYL 1-(2-AMINO-5-CHLORO-PHENYL)SULFONYLINDOLE-2-CARBOXYLATEEthyl 1-(2-amino-5-chlorobenzene-1-sulfonyl)-1H-indole-2-carboxylate
Database identifiers
- CAS
173908-47-9- PubChem CID
- 464790
- DTXSID
DTXSID80169720- ChEMBL
CHEMBL82415
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 594
Physicochemical properties
- Comptox DTXSID
- 80169720 · DTXSID80169720
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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